UCSF

ZINC02579117

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 3'-(Trifluoromethyl)propiophenone 3'-(Trifluoromethyl)propiophenone

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CAS Number: 1533-03-5

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 3.87 -8.72 0 1 0 17 202.175 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 102 / 17 TCI
Melting_Point 18-19? Alfa-Aesar
MP 18-19° Matrix Scientific
Boiling_Point 216-217? Alfa-Aesar
BP 216-217° Matrix Scientific
BP 72-73°/5mm Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )